Molecule Validation and Standardization
☆188Apr 16, 2020Updated 6 years ago
Alternatives and similar repositories for MolVS
Users that are interested in MolVS are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Molecular standardisation tool☆78Aug 23, 2020Updated 6 years ago
- Python wrapper for the PubChem PUG REST API.☆514Sep 8, 2025Updated 11 months ago
- Python wrapper for the ChemSpider API☆119Sep 9, 2018Updated 7 years ago
- ☆14Oct 16, 2022Updated 3 years ago
- A package to identify matched molecular pairs and use them to predict property changes.☆300Jun 3, 2026Updated 2 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- ChEMBL database structure pipelines☆248Nov 24, 2025Updated 9 months ago
- A script to run structural alerts using the RDKit and ChEMBL☆172Feb 17, 2026Updated 6 months ago
- Simple RDKit molecule editor GUI using PySide☆179May 3, 2026Updated 3 months ago
- Interactive molecule viewer for 2D structures☆257Dec 27, 2025Updated 8 months ago
- Robust representation of semantically constrained graphs, in particular for molecules in chemistry☆862May 17, 2025Updated last year
- Simple package for fast molecular similarity searches☆176Jul 16, 2026Updated last month
- psi4+RDKit☆107May 13, 2025Updated last year
- Molecular Processing Made Easy.☆546May 20, 2026Updated 3 months ago
- An implementation of the Free-Wilson SAR analysis method using the RDKit☆67Sep 5, 2022Updated 3 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- SMILES enumeration for QSAR modelling using LSTM recurrent neural networks☆249Apr 26, 2022Updated 4 years ago
- A tool for retrosynthetic planning☆884Apr 13, 2026Updated 4 months ago
- 3D molecular fingerprints☆144Feb 4, 2025Updated last year
- a molecular descriptor calculator☆479Feb 7, 2024Updated 2 years ago
- ☆138Nov 6, 2022Updated 3 years ago
- ☆78Aug 3, 2023Updated 3 years ago
- ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold netw…☆202Jan 27, 2022Updated 4 years ago
- Interaction Fingerprints for protein-ligand complexes and more☆536Aug 1, 2026Updated 3 weeks ago
- A Cuda/Thrust implementation of fingerprint similarity searching